2-aminopyridin-3-ol;7-bromo-2-propan-2-yl-4H-pyrido[3,2-b][1,4]oxazin-3-one;tert-butyl (E)-3-(3-oxo-2-propan-2-yl-4H-pyrido[3,2-b][1,4]oxazin-7-yl)prop-2-enoate;ethyl 2-bromo-3-methylbutanoate;(E)-3-(3-oxo-2-propan-2-yl-4H-pyrido[3,2-b][1,4]oxazin-7-yl)prop-2-enoic acid;2-propan-2-yl-4H-pyrido[3,2-b][1,4]oxazin-3-one

C62H78Br2N10O15 — CID 159453879

IUPAC2-aminopyridin-3-ol;7-bromo-2-propan-2-yl-4H-pyrido[3,2-b][1,4]oxazin-3-one;tert-butyl (E)-3-(3-oxo-2-propan-2-yl-4H-pyrido[3,2-b][1,4]oxazin-7-yl)prop-2-enoate;ethyl 2-bromo-3-methylbutanoate;(E)-3-(3-oxo-2-propan-2-yl-4H-pyrido[3,2-b][1,4]oxazin-7-yl)prop-2-enoic acid;2-propan-2-yl-4H-pyrido[3,2-b][1,4]oxazin-3-one
SMILESCC(C)C1Oc2cc(/C=C/C(=O)O)cnc2NC1=O.CC(C)C1Oc2cc(/C=C/C(=O)OC(C)(C)C)cnc2NC1=O.CC(C)C1Oc2cc(Br)cnc2NC1=O.CC(C)C1Oc2cccnc2NC1=O.CCOC(=O)C(Br)C(C)C.Nc1ncccc1O
InChIInChI=1S/C17H22N2O4.C13H14N2O4.C10H11BrN2O2.C10H12N2O2.C7H13BrO2.C5H6N2O/c1-10(2)14-16(21)19-15-12(22-14)8-11(9-18-15)6-7-13(20)23-17(3,4)5;1-7(2)11-13(18)15-12-9(19-11)5-8(6-14-12)3-4-10(16)17;1-5(2)8-10(14)13-9-7(15-8)3-6(11)4-12-9;1-6(2)8-10(13)12-9-7(14-8)4-3-5-11-9;1-4-10-7(9)6(8)5(2)3;6-5-4(8)2-1-3-7-5/h6-10,14H,1-5H3,(H,18,19,21);3-7,11H,1-2H3,(H,16,17)(H,14,15,18);3-5,8H,1-2H3,(H,12,13,14);3-6,8H,1-2H3,(H,11,12,13);5-6H,4H2,1-3H3;1-3,8H,(H2,6,7)/b7-6+;4-3+;;;;
InChIKeyLTSIKKUFVOJCBJ-NAPBPKHHSA-N
MW1363.17 g/mol
LogP10.30
Rot. Bonds11

About 2-aminopyridin-3-ol;7-bromo-2-propan-2-yl-4H-pyrido[3,2-b][1,4]oxazin-3-one;tert-butyl (E)-3-(3-oxo-2-propan-2-yl-4H-pyrido[3,2-b][1,4]oxazin-7-yl)prop-2-enoate;ethyl 2-bromo-3-methylbutanoate;(E)-3-(3-oxo-2-propan-2-yl-4H-pyrido[3,2-b][1,4]oxazin-7-yl)prop-2-enoic acid;2-propan-2-yl-4H-pyrido[3,2-b][1,4]oxazin-3-one

2-aminopyridin-3-ol;7-bromo-2-propan-2-yl-4H-pyrido[3,2-b][1,4]oxazin-3-one;tert-butyl (E)-3-(3-oxo-2-propan-2-yl-4H-pyrido[3,2-b][1,4]oxazin-7-yl)prop-2-enoate;ethyl 2-bromo-3-methylbutanoate;(E)-3-(3-oxo-2-propan-2-yl-4H-pyrido[3,2-b][1,4]oxazin-7-yl)prop-2-enoic acid;2-propan-2-yl-4H-pyrido[3,2-b][1,4]oxazin-3-one (PubChem CID 159453879) has the molecular formula C62H78Br2N10O15 and a molecular weight of 1363.17 g/mol. Its IUPAC name is 2-aminopyridin-3-ol;7-bromo-2-propan-2-yl-4H-pyrido[3,2-b][1,4]oxazin-3-one;tert-butyl (E)-3-(3-oxo-2-propan-2-yl-4H-pyrido[3,2-b][1,4]oxazin-7-yl)prop-2-enoate;ethyl 2-bromo-3-methylbutanoate;(E)-3-(3-oxo-2-propan-2-yl-4H-pyrido[3,2-b][1,4]oxazin-7-yl)prop-2-enoic acid;2-propan-2-yl-4H-pyrido[3,2-b][1,4]oxazin-3-one.

Molecular Properties

Compound Name2-aminopyridin-3-ol;7-bromo-2-propan-2-yl-4H-pyrido[3,2-b][1,4]oxazin-3-one;tert-butyl (E)-3-(3-oxo-2-propan-2-yl-4H-pyrido[3,2-b][1,4]oxazin-7-yl)prop-2-enoate;ethyl 2-bromo-3-methylbutanoate;(E)-3-(3-oxo-2-propan-2-yl-4H-pyrido[3,2-b][1,4]oxazin-7-yl)prop-2-enoic acid;2-propan-2-yl-4H-pyrido[3,2-b][1,4]oxazin-3-one
PubChem CID159453879
Molecular FormulaC62H78Br2N10O15
Molecular Weight1363.17 g/mol
Exact Mass1360.40
IUPAC Name2-aminopyridin-3-ol;7-bromo-2-propan-2-yl-4H-pyrido[3,2-b][1,4]oxazin-3-one;tert-butyl (E)-3-(3-oxo-2-propan-2-yl-4H-pyrido[3,2-b][1,4]oxazin-7-yl)prop-2-enoate;ethyl 2-bromo-3-methylbutanoate;(E)-3-(3-oxo-2-propan-2-yl-4H-pyrido[3,2-b][1,4]oxazin-7-yl)prop-2-enoic acid;2-propan-2-yl-4H-pyrido[3,2-b][1,4]oxazin-3-one
SMILESCC(C)C1Oc2cc(/C=C/C(=O)O)cnc2NC1=O.CC(C)C1Oc2cc(/C=C/C(=O)OC(C)(C)C)cnc2NC1=O.CC(C)C1Oc2cc(Br)cnc2NC1=O.CC(C)C1Oc2cccnc2NC1=O.CCOC(=O)C(Br)C(C)C.Nc1ncccc1O
InChIInChI=1S/C17H22N2O4.C13H14N2O4.C10H11BrN2O2.C10H12N2O2.C7H13BrO2.C5H6N2O/c1-10(2)14-16(21)19-15-12(22-14)8-11(9-18-15)6-7-13(20)23-17(3,4)5;1-7(2)11-13(18)15-12-9(19-11)5-8(6-14-12)3-4-10(16)17;1-5(2)8-10(14)13-9-7(15-8)3-6(11)4-12-9;1-6(2)8-10(13)12-9-7(14-8)4-3-5-11-9;1-4-10-7(9)6(8)5(2)3;6-5-4(8)2-1-3-7-5/h6-10,14H,1-5H3,(H,18,19,21);3-7,11H,1-2H3,(H,16,17)(H,14,15,18);3-5,8H,1-2H3,(H,12,13,14);3-6,8H,1-2H3,(H,11,12,13);5-6H,4H2,1-3H3;1-3,8H,(H2,6,7)/b7-6+;4-3+;;;;
InChIKeyLTSIKKUFVOJCBJ-NAPBPKHHSA-N
XLogP10.30
TPSA353.92 Ų
H-Bond Donors7
H-Bond Acceptors20
Rotatable Bonds11
Heavy Atoms89
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001363.17
LogP ≤ 510.30
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 2-aminopyridin-3-ol;7-bromo-2-propan-2-yl-4H-pyrido[3,2-b][1,4]oxazin-3-one;tert-butyl (E)-3-(3-oxo-2-propan-2-yl-4H-pyrido[3,2-b][1,4]oxazin-7-yl)prop-2-enoate;ethyl 2-bromo-3-methylbutanoate;(E)-3-(3-oxo-2-propan-2-yl-4H-pyrido[3,2-b][1,4]oxazin-7-yl)prop-2-enoic acid;2-propan-2-yl-4H-pyrido[3,2-b][1,4]oxazin-3-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-aminopyridin-3-ol;7-bromo-2-propan-2-yl-4H-pyrido[3,2-b][1,4]oxazin-3-one;tert-butyl (E)-3-(3-oxo-2-propan-2-yl-4H-pyrido[3,2-b][1,4]oxazin-7-yl)prop-2-enoate;ethyl 2-bromo-3-methylbutanoate;(E)-3-(3-oxo-2-propan-2-yl-4H-pyrido[3,2-b][1,4]oxazin-7-yl)prop-2-enoic acid;2-propan-2-yl-4H-pyrido[3,2-b][1,4]oxazin-3-one?
The IUPAC name of 2-aminopyridin-3-ol;7-bromo-2-propan-2-yl-4H-pyrido[3,2-b][1,4]oxazin-3-one;tert-butyl (E)-3-(3-oxo-2-propan-2-yl-4H-pyrido[3,2-b][1,4]oxazin-7-yl)prop-2-enoate;ethyl 2-bromo-3-methylbutanoate;(E)-3-(3-oxo-2-propan-2-yl-4H-pyrido[3,2-b][1,4]oxazin-7-yl)prop-2-enoic acid;2-propan-2-yl-4H-pyrido[3,2-b][1,4]oxazin-3-one (CID 159453879) is 2-aminopyridin-3-ol;7-bromo-2-propan-2-yl-4H-pyrido[3,2-b][1,4]oxazin-3-one;tert-butyl (E)-3-(3-oxo-2-propan-2-yl-4H-pyrido[3,2-b][1,4]oxazin-7-yl)prop-2-enoate;ethyl 2-bromo-3-methylbutanoate;(E)-3-(3-oxo-2-propan-2-yl-4H-pyrido[3,2-b][1,4]oxazin-7-yl)prop-2-enoic acid;2-propan-2-yl-4H-pyrido[3,2-b][1,4]oxazin-3-one.
What is the SMILES notation for 2-aminopyridin-3-ol;7-bromo-2-propan-2-yl-4H-pyrido[3,2-b][1,4]oxazin-3-one;tert-butyl (E)-3-(3-oxo-2-propan-2-yl-4H-pyrido[3,2-b][1,4]oxazin-7-yl)prop-2-enoate;ethyl 2-bromo-3-methylbutanoate;(E)-3-(3-oxo-2-propan-2-yl-4H-pyrido[3,2-b][1,4]oxazin-7-yl)prop-2-enoic acid;2-propan-2-yl-4H-pyrido[3,2-b][1,4]oxazin-3-one?
The canonical SMILES for 2-aminopyridin-3-ol;7-bromo-2-propan-2-yl-4H-pyrido[3,2-b][1,4]oxazin-3-one;tert-butyl (E)-3-(3-oxo-2-propan-2-yl-4H-pyrido[3,2-b][1,4]oxazin-7-yl)prop-2-enoate;ethyl 2-bromo-3-methylbutanoate;(E)-3-(3-oxo-2-propan-2-yl-4H-pyrido[3,2-b][1,4]oxazin-7-yl)prop-2-enoic acid;2-propan-2-yl-4H-pyrido[3,2-b][1,4]oxazin-3-one is CC(C)C1Oc2cc(/C=C/C(=O)O)cnc2NC1=O.CC(C)C1Oc2cc(/C=C/C(=O)OC(C)(C)C)cnc2NC1=O.CC(C)C1Oc2cc(Br)cnc2NC1=O.CC(C)C1Oc2cccnc2NC1=O.CCOC(=O)C(Br)C(C)C.Nc1ncccc1O.
What is the InChIKey of 2-aminopyridin-3-ol;7-bromo-2-propan-2-yl-4H-pyrido[3,2-b][1,4]oxazin-3-one;tert-butyl (E)-3-(3-oxo-2-propan-2-yl-4H-pyrido[3,2-b][1,4]oxazin-7-yl)prop-2-enoate;ethyl 2-bromo-3-methylbutanoate;(E)-3-(3-oxo-2-propan-2-yl-4H-pyrido[3,2-b][1,4]oxazin-7-yl)prop-2-enoic acid;2-propan-2-yl-4H-pyrido[3,2-b][1,4]oxazin-3-one?
The InChIKey is LTSIKKUFVOJCBJ-NAPBPKHHSA-N. The full InChI is InChI=1S/C17H22N2O4.C13H14N2O4.C10H11BrN2O2.C10H12N2O2.C7H13BrO2.C5H6N2O/c1-10(2)14-16(21)19-15-12(22-14)8-11(9-18-15)6-7-13(20)23-17(3,4)5;1-7(2)11-13(18)15-12-9(19-11)5-8(6-14-12)3-4-10(16)17;1-5(2)8-10(14)13-9-7(15-8)3-6(11)4-12-9;1-6(2)8-10(13)12-9-7(14-8)4-3-5-11-9;1-4-10-7(9)6(8)5(2)3;6-5-4(8)2-1-3-7-5/h6-10,14H,1-5H3,(H,18,19,21);3-7,11H,1-2H3,(H,16,17)(H,14,15,18);3-5,8H,1-2H3,(H,12,13,14);3-6,8H,1-2H3,(H,11,12,13);5-6H,4H2,1-3H3;1-3,8H,(H2,6,7)/b7-6+;4-3+;;;;.
What are the key properties of 2-aminopyridin-3-ol;7-bromo-2-propan-2-yl-4H-pyrido[3,2-b][1,4]oxazin-3-one;tert-butyl (E)-3-(3-oxo-2-propan-2-yl-4H-pyrido[3,2-b][1,4]oxazin-7-yl)prop-2-enoate;ethyl 2-bromo-3-methylbutanoate;(E)-3-(3-oxo-2-propan-2-yl-4H-pyrido[3,2-b][1,4]oxazin-7-yl)prop-2-enoic acid;2-propan-2-yl-4H-pyrido[3,2-b][1,4]oxazin-3-one?
2-aminopyridin-3-ol;7-bromo-2-propan-2-yl-4H-pyrido[3,2-b][1,4]oxazin-3-one;tert-butyl (E)-3-(3-oxo-2-propan-2-yl-4H-pyrido[3,2-b][1,4]oxazin-7-yl)prop-2-enoate;ethyl 2-bromo-3-methylbutanoate;(E)-3-(3-oxo-2-propan-2-yl-4H-pyrido[3,2-b][1,4]oxazin-7-yl)prop-2-enoic acid;2-propan-2-yl-4H-pyrido[3,2-b][1,4]oxazin-3-one has a molecular weight of 1363.17 g/mol, XLogP of 10.30, 11 rotatable bonds, 7 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminopyridin-3-ol;7-bromo-2-propan-2-yl-4H-pyrido[3,2-b][1,4]oxazin-3-one;tert-butyl (E)-3-(3-oxo-2-propan-2-yl-4H-pyrido[3,2-b][1,4]oxazin-7-yl)prop-2-enoate;ethyl 2-bromo-3-methylbutanoate;(E)-3-(3-oxo-2-propan-2-yl-4H-pyrido[3,2-b][1,4]oxazin-7-yl)prop-2-enoic acid;2-propan-2-yl-4H-pyrido[3,2-b][1,4]oxazin-3-one is sourced from PubChem (CID 159453879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).